Structural characterization and simulation of colloidal MnS

We report the characterization and simulation of gamma - MnS (wurtzite phase). The crystals were obtained using a standard colloidal route (co-precipitation chemical reaction). The as-prepared samples were characterized by x-ray diffraction (XRD) and Raman spectroscopy. The XRD data indicate the successful preparation of the gamma - MnS phase. The Raman spectra of the MnS sample show peaks at 221, 288, and 473 cm(-1). The peaks at 221 and 473 cm(-1) are due to phase separation. The other peak was related to the gamma - MnS phase. To the best of our knowledge, the Raman peak centered at 288 cm(-1) has never been reported. Also, the paper reports the phonon dispersion curve and dielectric constant of gamma - MnS. The spectra were calculated using density functional theory.